(8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate

C16H13NO3S — CID 943384

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
SMILESCc1cccc2cc(COC(=O)c3cccs3)c(=O)[nH]c12
InChIInChI=1S/C16H13NO3S/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-20-16(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyBOODXGBQVFUTGZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.26
Rot. Bonds3

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate (PubChem CID 943384) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
PubChem CID943384
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
SMILESCc1cccc2cc(COC(=O)c3cccs3)c(=O)[nH]c12
InChIInChI=1S/C16H13NO3S/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-20-16(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyBOODXGBQVFUTGZ-UHFFFAOYSA-N
XLogP3.26
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate (CID 943384) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate is Cc1cccc2cc(COC(=O)c3cccs3)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The InChIKey is BOODXGBQVFUTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-10-4-2-5-11-8-12(15(18)17-14(10)11)9-20-16(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate is sourced from PubChem (CID 943384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).